Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 7/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.39 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.39 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.37 |
| ▸ | FEN1 | P39748 | 2/20 | 0.37 |
| ▸ | GCK | P35557 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1137030 | 0.86 | MET (0.40) | METROCK2CYP3A4CYP2D6ROCK1 | |
| SCHEMBL1137217 | 0.79 | MET (0.52) | METROCK2CYP3A4CYP2D6ROCK1 | |
| SCHEMBL1137671 | 0.74 | MET (0.43) | METALOX5APFEN1GCKMAPK14 | |
| SCHEMBL3006765 | 0.73 | MET (0.43) | METALOX5APFEN1GCKMAPK14 | |
| SCHEMBL3003006 | 0.73 | MET (0.52) | METALOX5APFEN1GCKMAPK14 | |
| SCHEMBL1137672 | 0.73 | MET (0.52) | METALOX5APFEN1GCKMAPK14 | |
| SCHEMBL1137269 | 0.72 | MET (0.44) | METROCK1ALOX5APFEN1GCK | |
| SCHEMBL5124463 | 0.72 | MET (0.56) | METALOX5APFEN1GCKMAPK14 | |
| SCHEMBL1137321 | 0.71 | MET (0.44) | METCYP3A4CYP2D6LMNAMEN1 | |
| Trifluoroacetic Acid SCHEMBL1137637 | 0.71 | MET (0.41) | METALOX5APFEN1MAPK14 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7989477-B2 | Monocyclic heterocycles as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-08-02 | — | — | US | disclosed |
| EP-1737451-B1 | MONOCYCLIC HETEROCYCLES AS KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-02-23 | — | — | EP | disclosed |